2-[[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-2-cyano-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-2-cyano-3-p-phenetyl-acryloyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)N

InChI

InChI=1S/C22H23N3O3S/c1-3-28-16-7-5-14(6-8-16)11-15(12-23)21(27)25-22-19(20(24)26)17-9-4-13(2)10-18(17)29-22/h5-8,11,13H,3-4,9-10H2,1-2H3,(H2,24,26)(H,25,27)/b15-11+